(E)-N-[4-(4-chlorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide

C20H15ClN2O3S — CID 70978943

IUPAC(E)-N-[4-(4-chlorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H15ClN2O3S/c21-16-4-8-18(9-5-16)27(25,26)19-10-6-17(7-11-19)23-20(24)12-3-15-2-1-13-22-14-15/h1-14H,(H,23,24)/b12-3+
InChIKeyNPDIJNGAYHLFNU-KGVSQERTSA-N
MW398.87 g/mol
LogP4.22
Rot. Bonds5

About (E)-N-[4-(4-chlorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[4-(4-chlorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 70978943) has the molecular formula C20H15ClN2O3S and a molecular weight of 398.87 g/mol. Its IUPAC name is (E)-N-[4-(4-chlorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4-chlorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID70978943
Molecular FormulaC20H15ClN2O3S
Molecular Weight398.87 g/mol
Exact Mass398.05
IUPAC Name(E)-N-[4-(4-chlorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H15ClN2O3S/c21-16-4-8-18(9-5-16)27(25,26)19-10-6-17(7-11-19)23-20(24)12-3-15-2-1-13-22-14-15/h1-14H,(H,23,24)/b12-3+
InChIKeyNPDIJNGAYHLFNU-KGVSQERTSA-N
XLogP4.22
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[4-(4-chlorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 2121872
7-Chloro-4-[p-acetamidobenzenesulfonyl]quinoline
CID 280101
N-(3-{N-[(4-chlorophenyl)sulfonyl]ethanehydrazonoyl}phenyl)isonicotinamide
CID 5454652
N-(6-chloro-3-pyridinyl)-3-fluoro-4-[(4-fluorophenyl)methylsulfonyl]benzamide
CID 18378797
2-(4-chlorophenylsulfonyl)-2-methyl-N-(quinolin-3-yl)propanamide
CID 44569506
N-(4-(2-chlorobenzylsulfonyl)phenyl)picolinamide
CID 49865452
1-[4-(4-Chlorophenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610717
1-[4-(4-Chlorophenyl)sulfanylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610923
(E)-N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 73350708
1-[4-(2-Chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222518
1-[4-(4-Chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222553
1-[4-(3-Chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222563

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-chlorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(4-chlorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide (CID 70978943) is (E)-N-[4-(4-chlorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4-chlorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(4-chlorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-N-[4-(4-chlorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is NPDIJNGAYHLFNU-KGVSQERTSA-N. The full InChI is InChI=1S/C20H15ClN2O3S/c21-16-4-8-18(9-5-16)27(25,26)19-10-6-17(7-11-19)23-20(24)12-3-15-2-1-13-22-14-15/h1-14H,(H,23,24)/b12-3+.
What are the key properties of (E)-N-[4-(4-chlorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[4-(4-chlorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 398.87 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-chlorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 70978943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).